2-tert-butyl-7-[3-tert-butyl-5-[3-(3-tert-butyl-5-propan-2-ylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

C55H64N4O — CID 155652621

About 2-tert-butyl-7-[3-tert-butyl-5-[3-(3-tert-butyl-5-propan-2-ylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

2-tert-butyl-7-[3-tert-butyl-5-[3-(3-tert-butyl-5-propan-2-ylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 155652621) has the molecular formula C55H64N4O and a molecular weight of 797.14 g/mol. Its IUPAC name is 2-tert-butyl-7-[3-tert-butyl-5-[3-(3-tert-butyl-5-propan-2-ylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-tert-butyl-7-[3-tert-butyl-5-[3-(3-tert-butyl-5-propan-2-ylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• PubChem CID: 155652621
• Molecular Formula: C55H64N4O
• Molecular Weight: 797.14 g/mol
• Exact Mass: 796.51
• IUPAC Name: 2-tert-butyl-7-[3-tert-butyl-5-[3-(3-tert-butyl-5-propan-2-ylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• SMILES: CC(C)c1cc(N2CN(c3cc(Oc4ccc5c6ccc(C(C)(C)C)cc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)(C)C)c3)c3ccccc32)cc(C(C)(C)C)c1
• InChI: InChI=1S/C55H64N4O/c1-35(2)36-25-39(54(9,10)11)27-41(26-36)57-34-58(48-18-16-15-17-47(48)57)42-28-40(55(12,13)14)29-44(32-42)60-43-20-22-46-45-21-19-37(52(3,4)5)30-49(45)59(50(46)33-43)51-31-38(23-24-56-51)53(6,7)8/h15-33,35H,34H2,1-14H3
• InChIKey: KJBYHNMLQAKJKV-UHFFFAOYSA-N
• XLogP: 15.53
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.14
LogP ≤ 5	15.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-[3-tert-butyl-5-[3-(3-tert-butyl-5-propan-2-ylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The IUPAC name of 2-tert-butyl-7-[3-tert-butyl-5-[3-(3-tert-butyl-5-propan-2-ylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 155652621) is 2-tert-butyl-7-[3-tert-butyl-5-[3-(3-tert-butyl-5-propan-2-ylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

What is the SMILES notation for 2-tert-butyl-7-[3-tert-butyl-5-[3-(3-tert-butyl-5-propan-2-ylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The canonical SMILES for 2-tert-butyl-7-[3-tert-butyl-5-[3-(3-tert-butyl-5-propan-2-ylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)c1cc(N2CN(c3cc(Oc4ccc5c6ccc(C(C)(C)C)cc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(C(C)(C)C)c3)c3ccccc32)cc(C(C)(C)C)c1.

What is the InChIKey of 2-tert-butyl-7-[3-tert-butyl-5-[3-(3-tert-butyl-5-propan-2-ylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The InChIKey is KJBYHNMLQAKJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H64N4O/c1-35(2)36-25-39(54(9,10)11)27-41(26-36)57-34-58(48-18-16-15-17-47(48)57)42-28-40(55(12,13)14)29-44(32-42)60-43-20-22-46-45-21-19-37(52(3,4)5)30-49(45)59(50(46)33-43)51-31-38(23-24-56-51)53(6,7)8/h15-33,35H,34H2,1-14H3.

What are the key properties of 2-tert-butyl-7-[3-tert-butyl-5-[3-(3-tert-butyl-5-propan-2-ylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

2-tert-butyl-7-[3-tert-butyl-5-[3-(3-tert-butyl-5-propan-2-ylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 797.14 g/mol, XLogP of 15.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-7-[3-tert-butyl-5-[3-(3-tert-butyl-5-propan-2-ylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 155652621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).